Trideca-2,12-dien-4,6,8,10-tetraynal

Details

Top
Internal ID 1bc1b320-47c1-4401-ae02-ffe83654fdd1
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
IUPAC Name trideca-2,12-dien-4,6,8,10-tetraynal
SMILES (Canonical) C=CC#CC#CC#CC#CC=CC=O
SMILES (Isomeric) C=CC#CC#CC#CC#CC=CC=O
InChI InChI=1S/C13H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-13H,1H2
InChI Key IBBQITPPCBIQGP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C13H6O
Molecular Weight 178.19 g/mol
Exact Mass 178.041864811 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 2.50

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Trideca-2,12-dien-4,6,8,10-tetraynal

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4246 P42680 Tyrosine-protein kinase TEC 82.99% 82.05%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.29% 95.56%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Coreopsis verticillata
Dahlia sherffii
Dahlia tubulata

Cross-Links

Top
PubChem 85767657
LOTUS LTS0192107
wikiData Q105036418